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Browsing by Subject hydrogen storage
Showing results 1 to 3 of 3
| Issue Date | Title | Author(s) |
| 12-May-2024 | Basis Set Superposition Error: Effects of the Boys‒Bernardi Correction on the DFT Modeling of Hydrogen Sorption on Low-Dimensional Carbon Nanomaterials | Alantev, K.V.; Babailova, D.V.; Kaplun, M.V.; Anikina, E.V.; Ahuja, R. |
| 15-Oct-2021 | Density functional theory and ab initio molecular dynamics investigation of hydronium interactions with graphene | Mohammadi, S. S.; Brennan, M.; Oberoi, A.; Vagh, H.; Spencer, M.; Kumar, T. J. D.; Andrews, J. |
| 21-Jul-2021 | Density functional theory study of Li-Functionalized nanoporous R‑Graphyne−Metal−Organic frameworks for reversible hydrogen storage | Sathe, R. Y.; Ussama, M.; Bae, H.; Lee, H.; Kumar, T. J. D. |
